3-methyl-1-[(3-phenoxyphenyl)methyl]piperidine

C19H23NO — CID 2846129

IUPAC3-methyl-1-[(3-phenoxyphenyl)methyl]piperidine
SMILESCC1CCCN(Cc2cccc(Oc3ccccc3)c2)C1
InChIInChI=1S/C19H23NO/c1-16-7-6-12-20(14-16)15-17-8-5-11-19(13-17)21-18-9-3-2-4-10-18/h2-5,8-11,13,16H,6-7,12,14-15H2,1H3
InChIKeyVAWKTHGPQLDLLH-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.71
Rot. Bonds4

About 3-methyl-1-[(3-phenoxyphenyl)methyl]piperidine

3-methyl-1-[(3-phenoxyphenyl)methyl]piperidine (PubChem CID 2846129) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-methyl-1-[(3-phenoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name3-methyl-1-[(3-phenoxyphenyl)methyl]piperidine
PubChem CID2846129
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name3-methyl-1-[(3-phenoxyphenyl)methyl]piperidine
SMILESCC1CCCN(Cc2cccc(Oc3ccccc3)c2)C1
InChIInChI=1S/C19H23NO/c1-16-7-6-12-20(14-16)15-17-8-5-11-19(13-17)21-18-9-3-2-4-10-18/h2-5,8-11,13,16H,6-7,12,14-15H2,1H3
InChIKeyVAWKTHGPQLDLLH-UHFFFAOYSA-N
XLogP4.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(3-phenoxyphenyl)methyl]piperidine?
The IUPAC name of 3-methyl-1-[(3-phenoxyphenyl)methyl]piperidine (CID 2846129) is 3-methyl-1-[(3-phenoxyphenyl)methyl]piperidine.
What is the SMILES notation for 3-methyl-1-[(3-phenoxyphenyl)methyl]piperidine?
The canonical SMILES for 3-methyl-1-[(3-phenoxyphenyl)methyl]piperidine is CC1CCCN(Cc2cccc(Oc3ccccc3)c2)C1.
What is the InChIKey of 3-methyl-1-[(3-phenoxyphenyl)methyl]piperidine?
The InChIKey is VAWKTHGPQLDLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-16-7-6-12-20(14-16)15-17-8-5-11-19(13-17)21-18-9-3-2-4-10-18/h2-5,8-11,13,16H,6-7,12,14-15H2,1H3.
What are the key properties of 3-methyl-1-[(3-phenoxyphenyl)methyl]piperidine?
3-methyl-1-[(3-phenoxyphenyl)methyl]piperidine has a molecular weight of 281.40 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(3-phenoxyphenyl)methyl]piperidine is sourced from PubChem (CID 2846129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).